Chloride → 2-Cyano-4'-methylbiphenyl

HRID 2341627Notes

Reaction equation

HRID 2341627 reaction equation
[Br:9][c:10]1[c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16][cH:17]1.[CH2:3]([CH2:4][O:5][CH3:6])[O:7][CH3:8].[Cl-:18].[Cl-:1].[Li+:2].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[P:35]([CH2:36][CH2:37][CH2:38][P:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Pd:32]([Cl:33])[Cl:34].[c:19]1([CH3:26])[cH:20][cH:21][c:22]([Mg+:25])[cH:23][cH:24]1>>[c:10]1(-[c:22]2[cH:21][cH:20][c:19]([CH3:26])[cH:24][cH:23]2)[c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 312Chloride2×HCID 8028TetrahydrofuranHCID 80711,2-DimethoxyethaneHCID 162722-BromobenzonitrileHCID 24290Palladium ChlorideHCID 28486Lithium ionHCID 812191,3-Bis(diphenylphosphino)propaneHCID 178426146HCID 178426146, compound

Product 1

HCID 1455122-Cyano-4'-methylbiphenyl

Sources & evidence

ORD record
ord-0ce4247a77bf4693b5b9be40990acdd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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